| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 29 | No |
Popular Name: (E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide (E)-N-[5-chloro-2-(4-methylpiper…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.63 | 12.26 | -60.64 | 2 | 7 | 1 | 83 | 436.319 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 9.91 | -14.37 | 1 | 7 | 0 | 81 | 435.311 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
